Data quality metrics extracted from 6gkj.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "26a15718ceca5d43c2375cc047837a42",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.19,
    "b": 38.19,
    "c": 147.02,
    "alpha": 84.18,
    "beta": 88.55,
    "gamma": 76.96
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.76,2.068],
    "number_observations_unique": 46288,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.194
      },
      {
        "type": "R(meas)",
        "value": 0.214
      },
      {
        "type": "I/SigI",
        "value": 7.08
      },
      {
        "type": "Completeness",
        "value": 94.1
      },
      {
        "type": "Redundancy",
        "value": 4.343
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.12,2.068],
      "number_observations_unique": 3273,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.585
        },
        {
          "type": "R(meas)",
          "value": 0.715
        },
        {
          "type": "I/SigI",
          "value": 1.65
        },
        {
          "type": "Completeness",
          "value": 88.7
        },
        {
          "type": "Redundancy",
          "value": 2.966
        },
        {
          "type": "CC(1/2)",
          "value": 0.637
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):